Datasets
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Dataset for "Comparing the Performances of Force Fields in Conformational Searching of Hydrogen Bond-Donating Catalysts"
Lewis-Atwell, T. (Creator), Townsend, P. (Creator) & Grayson, M. (Creator), University of Bath, 27 Apr 2022
DOI: 10.15125/BATH-01065
Dataset
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Dataset for "Reformulating Reactivity Design for Data-Efficient Machine Learning"
Lewis-Atwell, T. (Creator), Beechey, D. (Creator), Şimşek, Ö. (Creator) & Grayson, M. (Creator), University of Bath, 6 Oct 2023
DOI: 10.15125/BATH-01240, https://github.com/the-grayson-group/finding_barriers
Dataset